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1439902-48-3 | 4-[(3-Chlorophenyl)methyl]oxan-4-amine hydrochloride
CAS No: 1439902-48-3 Catalog No: AG01F8JD MDL No:
Product Description
Catalog Number:
AG01F8JD
Chemical Name:
4-[(3-Chlorophenyl)methyl]oxan-4-amine hydrochloride
CAS Number:
1439902-48-3
Molecular Formula:
C12H17Cl2NO
Molecular Weight:
262.1755
IUPAC Name:
4-[(3-chlorophenyl)methyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C12H16ClNO.ClH/c13-11-3-1-2-10(8-11)9-12(14)4-6-15-7-5-12;/h1-3,8H,4-7,9,14H2;1H
InChI Key:
KSAGXOOSKXPFCG-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CC1(N)CCOCC1.Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.174g/mol
Monoisotopic Mass:
261.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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